Glycoside
GD141215
Name:
2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-hydroxy-6-methoxyphenoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C39H54O23Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(O)c1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.69 |
| AlogP: | -4.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 890.84 | Num_heavy_atoms: | 62 |
| TPSA: | 344.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD50489
Formula: C21H24O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(O)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
